Cetirizine hydrochloride

C21H27Cl3N2O3CAS 83881-52-1461.81 g/mol

HClHClOHOONNCl
Aryl halideCarboxylic acidEtherTertiary amine

Properties

Molecular formula
C21H27Cl3N2O3
Molar mass
461.81 g/mol
Exact mass
460.1087 Da
Melting point
225 °C
logP
3.99Crippen estimate
Polar surface area
53.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
8

Identifiers

CAS number
83881-52-1
SMILES
Cl.Cl.O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIKey
PGLIUCLTXOYQMV-UHFFFAOYSA-N
InChI
InChI=1S/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H

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Names and synonyms

35 names · show all
  • Cetrizet
  • Cistamine
  • Histazine
  • Nosemin
  • Alerid
  • Cesta
  • Ryzen
  • Sancotec
  • Selitex
  • Triz
  • Virlix
  • Zeran
  • Zirtin
  • Zyrtec
  • Zyrzine
  • Alerlisin
  • Formistin
  • Zirtek
  • Zyrlex
  • Reactine
  • Riztec
  • P 071
  • Zirtec
  • Cetrak
  • Cetiriz
  • Tomazine
  • Epirizine
  • Histazine-1
  • 2-(2-[4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl]ethoxy)acetic acid dihydrochloride
  • Acetic acid, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, hydrochloride (1:2)
  • Acetic acid, [2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, dihydrochloride
  • UCB-P 071
  • Cetirizine dihydrochloride
  • Alercet
  • Cetrine

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Elsewhere